Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50020209'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50020209 (CHEMBL410090 | CTP) Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(N)=O Show InChI InChI=1S/C51H69N11O11S2/c1-27(63)40(43(54)66)60-50(73)42-51(3,4)75-74-26-39(59-44(67)34(53)22-29-12-6-5-7-13-29)48(71)57-37(23-30-17-19-32(65)20-18-30)46(69)58-38(24-31-25-55-35-15-9-8-14-33(31)35)47(70)56-36(16-10-11-21-52)45(68)61-41(28(2)64)49(72)62-42/h5-9,12-15,17-20,25,27-28,34,36-42,55,63-65H,10-11,16,21-24,26,52-53H2,1-4H3,(H2,54,66)(H,56,70)(H,57,71)(H,58,69)(H,59,67)(H,60,73)(H,61,68)(H,62,72)/t27-,28-,34+,36+,37+,38+,39+,40+,41+,42-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Binding affinity in competition with [3H]- DPDPE in Opioid receptor delta 1 binding to rat brain membrane				J Med Chem 31: 2170-7 (1988) BindingDB Entry DOI: 10.7270/Q2J38RJX
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